Dataset

Artemisinin

This MassBank record with Accession MSBNK-Fiocruz-FIO00417 contains the MS2 mass spectrum of Artemisinin with the InChIkey BLUAFEHZUWYNDE-NNWCWBAJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
SMILES O=C(O1)[C@H](C)[C@]([H])(C4)[C@](O2)([C@@]([H])3[C@H](C)C4)[C@]([H])1O[C@@](C)(CC3)O2
InChI Key BLUAFEHZUWYNDE-NNWCWBAJSA-N
Molecular Formula C15H22O5
Exact Mass 282.147 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00417
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:41:14.682694
MetadataModified 2024-01-11T16:41:14.864215
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20253147 NMRShiftDB
229175 Brenda
HY-B0094 MedChemExpress
ZINC000008143788 ZINC
229174 Brenda
DTXSID2040652 EPA CompTox Dashboard
LMPR0103190003 LipidMaps
3871 DrugCentral
PA165111696 PharmGKB
68827 PubChem
9954 Guide to Pharmacology
169885 Brenda
MTBLC223316 Metabolights
50088447 BindingDB
DB13132 DrugBank
LSM-6546 LINCS
Artemisinin Selleck
14873071 PubChem: Thomson Pharma
PD012296 ProbesDrugs
9RMU91N5K2 FDA SRS
QNGHSU CCDC
J86.051D Nikkaji
MCULE-9877817795 Mcule
SCHEMBL60304 SureChEMBL
C09538 KEGG Ligand
223316 ChEBI
CHEMBL269671 ChEMBL
12013016 PubChem: Drugs of the Future
500899 eMolecules
12642552 eMolecules
The data in this table is sourced from UniChem at EBI.